2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C18H17FN6OS — CID 156888741

IUPAC2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1cn2cc(-c3nc4ncn(C5CCNCC5)c(=O)c4s3)cc(F)c2n1
InChIInChI=1S/C18H17FN6OS/c1-10-7-24-8-11(6-13(19)16(24)22-10)17-23-15-14(27-17)18(26)25(9-21-15)12-2-4-20-5-3-12/h6-9,12,20H,2-5H2,1H3
InChIKeyMCBKQOKRWMERCK-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.54
Rot. Bonds2

About 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 156888741) has the molecular formula C18H17FN6OS and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID156888741
Molecular FormulaC18H17FN6OS
Molecular Weight384.44 g/mol
Exact Mass384.12
IUPAC Name2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1cn2cc(-c3nc4ncn(C5CCNCC5)c(=O)c4s3)cc(F)c2n1
InChIInChI=1S/C18H17FN6OS/c1-10-7-24-8-11(6-13(19)16(24)22-10)17-23-15-14(27-17)18(26)25(9-21-15)12-2-4-20-5-3-12/h6-9,12,20H,2-5H2,1H3
InChIKeyMCBKQOKRWMERCK-UHFFFAOYSA-N
XLogP2.54
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 156888741) is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is Cc1cn2cc(-c3nc4ncn(C5CCNCC5)c(=O)c4s3)cc(F)c2n1.
What is the InChIKey of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is MCBKQOKRWMERCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6OS/c1-10-7-24-8-11(6-13(19)16(24)22-10)17-23-15-14(27-17)18(26)25(9-21-15)12-2-4-20-5-3-12/h6-9,12,20H,2-5H2,1H3.
What are the key properties of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 384.44 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 156888741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).